Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1554642
Preview
| Coordinates | 1554642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N O2 S |
|---|---|
| Calculated formula | C14 H13 N O2 S |
| SMILES | S1(=O)(=O)c2c(N(c3c1cccc3)CC)cccc2 |
| Title of publication | The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging |
| Authors of publication | Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 1391 |
| a | 7.9027 ± 0.0003 Å |
| b | 11.1576 ± 0.0004 Å |
| c | 13.5298 ± 0.0006 Å |
| α | 90° |
| β | 93.338 ± 0.004° |
| γ | 90° |
| Cell volume | 1190.97 ± 0.08 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238019 (current) | 2019-11-24 | cif/ Adding structures of 1554641, 1554642, 1554643, 1554644, 1554645, 1554646 via cif-deposit CGI script. |
1554642.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.